N-[2-[4-[[3-(tert-butylamino)pyridin-2-yl]-ethyl-amino]piperidin-1-yl]carbonyl-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide

Systemtic Name: N-[2-[4-[[3-(tert-butylamino)pyridin-2-yl]-ethyl-amino]piperidin-1-yl]carbonyl-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide Openeye Name: N-[2-[4-[[3-(tert-butylamino)-2-pyridyl]-ethyl-amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide CAS Name: N-[2-[[4-[[3-(tert-butylamino)-2-pyridinyl]-ethylamino]-1-piperidinyl]-oxomethyl]-1H-indol-5-yl]-4-methyl-1-piperazinesulfonamide IUPAC Name: N-[2-[4-[[3-(tert-butylamino)pyridin-2-yl]-ethylamino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methylpiperazine-1-sulfonamide Traditional Name: N-[2-[4-[[3-(tert-butylamino)-2-pyridyl]-ethyl-amino]piperidine-1-carbonyl]-1H-indol-5-yl]-4-methyl-piperazine-1-sulfonamide Formula: C30H44N8O3S MolecularWeight: 596.78716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)N4CCN(CC4)C)C5=C(C=CC=N5)NC(C)(C)C

Isomeric SMILES

CCN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)N4CCN(CC4)C)C5=C(C=CC=N5)NC(C)(C)C

InChI

InChI=1S/C30H44N8O3S/c1-6-38(28-26(8-7-13-31-28)33-30(2,3)4)24-11-14-36(15-12-24)29(39)27-21-22-20-23(9-10-25(22)32-27)34-42(40,41)37-18-16-35(5)17-19-37/h7-10,13,20-21,24,32-34H,6,11-12,14-19H2,1-5H3