N-(2-imidazol-1-ylethyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(2-imidazol-1-ylethyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-imidazol-1-ylethyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-imidazolyl)ethyl]-3-(phenethylamino)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(2-imidazol-1-ylethyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(2-imidazol-1-ylethyl)-3-(phenethylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCCC3=CC=CC=C3)C(=O)NCCN4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCCC3=CC=CC=C3)C(=O)NCCN4C=CN=C4

InChI

InChI=1S/C24H29N5O3S/c30-24(27-11-15-28-14-10-25-19-28)21-16-22(26-9-8-20-6-2-1-3-7-20)18-23(17-21)33(31,32)29-12-4-5-13-29/h1-3,6-7,10,14,16-19,26H,4-5,8-9,11-13,15H2,(H,27,30)