4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[[2-(phenoxymethyl)phenyl]methyl]butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[[2-(phenoxymethyl)phenyl]methyl]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[[2-(phenoxymethyl)phenyl]methyl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[[2-(phenoxymethyl)phenyl]methyl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[[2-(phenoxymethyl)phenyl]methyl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[2-(phenoxymethyl)benzyl]butyramide Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC2=CC=CC=C2COC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NCC2=CC=CC=C2COC3=CC=CC=C3

InChI

InChI=1S/C27H30N2O5S/c1-21(30)22-14-16-26(17-15-22)35(32,33)29(2)18-8-13-27(31)28-19-23-9-6-7-10-24(23)20-34-25-11-4-3-5-12-25/h3-7,9-12,14-17H,8,13,18-20H2,1-2H3,(H,28,31)