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

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-(phenethylamino)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-(phenethylamino)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-3-(phenethylamino)-5-pyrrolidinosulfonyl-benzamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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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)NCCCN4C=CN=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCCC3=CC=CC=C3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C25H31N5O3S/c31-25(28-10-6-13-29-16-12-26-20-29)22-17-23(27-11-9-21-7-2-1-3-8-21)19-24(18-22)34(32,33)30-14-4-5-15-30/h1-3,7-8,12,16-20,27H,4-6,9-11,13-15H2,(H,28,31)