N-(2-imidazol-1-ylethyl)-3-[(6-methylpyridin-2-yl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-3-[(6-methylpyridin-2-yl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-imidazol-1-ylethyl)-3-[(6-methyl-2-pyridyl)methylamino]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-imidazolyl)ethyl]-3-[(6-methyl-2-pyridinyl)methylamino]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-imidazol-1-ylethyl)-3-[(6-methylpyridin-2-yl)methylamino]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-imidazol-1-ylethyl)-3-[(6-methyl-2-pyridyl)methylamino]-5-pyrrolidinosulfonyl-benzamide Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)NCCN3C=CN=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC(=CC=C1)CNC2=CC(=CC(=C2)C(=O)NCCN3C=CN=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H28N6O3S/c1-18-5-4-6-20(27-18)16-26-21-13-19(23(30)25-8-12-28-11-7-24-17-28)14-22(15-21)33(31,32)29-9-2-3-10-29/h4-7,11,13-15,17,26H,2-3,8-10,12,16H2,1H3,(H,25,30)