3-(1H-indol-3-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 3-(1H-indol-3-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 3-(1H-indol-3-ylmethylamino)-N-(2-pyridylmethyl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 3-(1H-indol-3-ylmethylamino)-N-(2-pyridinylmethyl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 3-(1H-indol-3-ylmethylamino)-N-(pyridin-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 3-(1H-indol-3-ylmethylamino)-N-(2-pyridylmethyl)-5-pyrrolidinosulfonyl-benzamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC(=C2)NCC3=CNC4=CC=CC=C43)C(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C26H27N5O3S/c32-26(30-18-21-7-3-4-10-27-21)19-13-22(15-23(14-19)35(33,34)31-11-5-6-12-31)28-16-20-17-29-25-9-2-1-8-24(20)25/h1-4,7-10,13-15,17,28-29H,5-6,11-12,16,18H2,(H,30,32)