methyl 3-[3-(1-azanyl-6-methylsulfonyl-naphthalen-2-yl)-4-(cyclopentylmethoxy)phenyl]propanoate

Systemtic Name: methyl 3-[3-(1-azanyl-6-methylsulfonyl-naphthalen-2-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Openeye Name: methyl 3-[3-(1-amino-6-methylsulfonyl-2-naphthyl)-4-(cyclopentylmethoxy)phenyl]propanoate CAS Name: 3-[3-(1-amino-6-methylsulfonyl-2-naphthalenyl)-4-(cyclopentylmethoxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(1-amino-6-methylsulfonylnaphthalen-2-yl)-4-(cyclopentylmethoxy)phenyl]propanoate Traditional Name: 3-[3-(1-amino-6-mesyl-2-naphthyl)-4-(cyclopentylmethoxy)phenyl]propionic acid methyl ester Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)C)N

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)OCC2CCCC2)C3=C(C4=C(C=C3)C=C(C=C4)S(=O)(=O)C)N

InChI

InChI=1S/C27H31NO5S/c1-32-26(29)14-8-18-7-13-25(33-17-19-5-3-4-6-19)24(15-18)23-11-9-20-16-21(34(2,30)31)10-12-22(20)27(23)28/h7,9-13,15-16,19H,3-6,8,14,17,28H2,1-2H3