5-[3-[[[(2S)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Systemtic Name: 5-[3-[[[(2S)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 3-(1-ethylsulfonyl-4-piperidyl)-5-[3-[[[(1S)-1-methylpropyl]amino]methyl]phenyl]-1H-indole-7-carboxamide CAS Name: 5-[3-[[[(2S)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[3-[[[(2S)-butan-2-yl]amino]methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-[3-[[[(1S)-1-methylpropyl]amino]methyl]phenyl]-1H-indole-7-carboxamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

Isomeric SMILES

CC[C@H](C)NCC1=CC=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

InChI

InChI=1S/C27H36N4O3S/c1-4-18(3)29-16-19-7-6-8-21(13-19)22-14-23-25(17-30-26(23)24(15-22)27(28)32)20-9-11-31(12-10-20)35(33,34)5-2/h6-8,13-15,17-18,20,29-30H,4-5,9-12,16H2,1-3H3,(H2,28,32)/t18-/m0/s1