2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(4-propan-2-ylphenyl)amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[4-isopropyl-N-(p-tolylsulfonyl)anilino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(4-isopropyl-N-tosyl-anilino)-N-(4-pyrrolidinobenzyl)acetamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=C(C=C2)N3CCCC3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C29H35N3O3S/c1-22(2)25-10-14-27(15-11-25)32(36(34,35)28-16-6-23(3)7-17-28)21-29(33)30-20-24-8-12-26(13-9-24)31-18-4-5-19-31/h6-17,22H,4-5,18-21H2,1-3H3,(H,30,33)