propyl 2-[5-[[4-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-3-(hexadecylsulfonylamino)phenyl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]ethanoate

Systemtic Name: propyl 2-[5-[[4-(3-aminocarbonyl-4-oxidanyl-naphthalen-1-yl)oxy-3-(hexadecylsulfonylamino)phenyl]methylsulfanyl]-1,2,3,4-tetrazol-1-yl]ethanoate Openeye Name: propyl 2-[5-[[4-[(3-carbamoyl-4-hydroxy-1-naphthyl)oxy]-3-(hexadecylsulfonylamino)phenyl]methylsulfanyl]tetrazol-1-yl]acetate CAS Name: 2-[5-[[4-[(3-carbamoyl-4-hydroxy-1-naphthalenyl)oxy]-3-(hexadecylsulfonylamino)phenyl]methylthio]-1-tetrazolyl]acetic acid propyl ester IUPAC Name: propyl 2-[5-[[4-(3-carbamoyl-4-hydroxynaphthalen-1-yl)oxy-3-(hexadecylsulfonylamino)phenyl]methylsulfanyl]tetrazol-1-yl]acetate Traditional Name: 2-[5-[[4-(3-carbamoyl-4-hydroxy-1-naphthoxy)-3-(cetylsulfonylamino)benzyl]thio]tetrazol-1-yl]acetic acid propyl ester Formula: C40H56N6O7S2 MolecularWeight: 797.03864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)CSC2=NN=NN2CC(=O)OCCC)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=C(C=CC(=C1)CSC2=NN=NN2CC(=O)OCCC)OC3=CC(=C(C4=CC=CC=C43)O)C(=O)N

InChI

InChI=1S/C40H56N6O7S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25-55(50,51)43-34-26-30(29-54-40-42-44-45-46(40)28-37(47)52-24-4-2)22-23-35(34)53-36-27-33(39(41)49)38(48)32-21-18-17-20-31(32)36/h17-18,20-23,26-27,43,48H,3-16,19,24-25,28-29H2,1-2H3,(H2,41,49)