N-(2-imidazol-1-ylethyl)-3-[[3-(2-methylphenyl)phenyl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-3-[[3-(2-methylphenyl)phenyl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-imidazol-1-ylethyl)-3-[[3-(o-tolyl)phenyl]methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-imidazolyl)ethyl]-3-[[3-(2-methylphenyl)phenyl]methylamino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-imidazol-1-ylethyl)-3-[[3-(2-methylphenyl)phenyl]methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-imidazol-1-ylethyl)-3-[[3-(o-tolyl)benzyl]amino]-5-pyrrolidinosulfonyl-benzamide Formula: C30H33N5O3S MolecularWeight: 543.67972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=CC(=CC(=C3)C(=O)NCCN4C=CN=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)CNC3=CC(=CC(=C3)C(=O)NCCN4C=CN=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C30H33N5O3S/c1-23-7-2-3-10-29(23)25-9-6-8-24(17-25)21-33-27-18-26(30(36)32-12-16-34-15-11-31-22-34)19-28(20-27)39(37,38)35-13-4-5-14-35/h2-3,6-11,15,17-20,22,33H,4-5,12-14,16,21H2,1H3,(H,32,36)