1-[3-[azanyl-(2-ethylsulfonyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl ethanoate

Systemtic Name: 1-[3-[azanyl-(2-ethylsulfonyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl ethanoate Openeye Name: 1-[3-[amino-(2-ethylsulfonyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl acetate CAS Name: acetic acid 1-[3-[amino-(2-ethylsulfonyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl ester IUPAC Name: 1-[3-[amino-(2-ethylsulfonyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl acetate Traditional Name: acetic acid 1-[3-[amino-(2-esyl-1,3-benzothiazol-7-yl)methyl]phenyl]hexyl ester Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=CC(=C1)C(C2=C3C(=CC=C2)N=C(S3)S(=O)(=O)CC)N)OC(=O)C

Isomeric SMILES

CCCCCC(C1=CC=CC(=C1)C(C2=C3C(=CC=C2)N=C(S3)S(=O)(=O)CC)N)OC(=O)C

InChI

InChI=1S/C24H30N2O4S2/c1-4-6-7-14-21(30-16(3)27)17-10-8-11-18(15-17)22(25)19-12-9-13-20-23(19)31-24(26-20)32(28,29)5-2/h8-13,15,21-22H,4-7,14,25H2,1-3H3