N-[1-[[4-(aminomethyl)pyridin-2-yl]methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[1-[[4-(aminomethyl)pyridin-2-yl]methylamino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-[[4-(aminomethyl)-2-pyridyl]methylamino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-(benzenesulfonyl)piperidine-4-carboxamide CAS Name: N-[1-[[4-(aminomethyl)-2-pyridinyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[1-[[4-(aminomethyl)pyridin-2-yl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(benzenesulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-[[4-(aminomethyl)-2-pyridyl]methylamino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-1-besyl-isonipecotamide Formula: C30H34N6O4S MolecularWeight: 574.69376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=NC=CC(=C4)CN)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4=NC=CC(=C4)CN)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H34N6O4S/c31-18-21-10-13-32-24(16-21)20-34-30(38)28(17-23-19-33-27-9-5-4-8-26(23)27)35-29(37)22-11-14-36(15-12-22)41(39,40)25-6-2-1-3-7-25/h1-10,13,16,19,22,28,33H,11-12,14-15,17-18,20,31H2,(H,34,38)(H,35,37)