N-[(4-methylphenyl)-phenyl-methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-[(4-methylphenyl)-phenyl-methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-[phenyl(p-tolyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-[(4-methylphenyl)-phenylmethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-[(4-methylphenyl)-phenylmethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-[phenyl(p-tolyl)methyl]-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C27H30N2O3S/c1-21-9-14-24(15-10-21)27(23-7-3-2-4-8-23)28-26(30)18-13-22-11-16-25(17-12-22)33(31,32)29-19-5-6-20-29/h2-4,7-12,14-17,27H,5-6,13,18-20H2,1H3,(H,28,30)