2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide

Systemtic Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide Openeye Name: 2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide CAS Name: N-(2-mercaptoethyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanamide IUPAC Name: 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-N-(2-sulfanylethyl)butanamide Traditional Name: N-(2-mercaptoethyl)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyramide Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCS)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)NCCS)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3O4S2/c1-15(2)19(20(24)22-11-12-28)23(14-16-5-4-10-21-13-16)29(25,26)18-8-6-17(27-3)7-9-18/h4-10,13,15,19,28H,11-12,14H2,1-3H3,(H,22,24)