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

Systemtic Name: 3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide Openeye Name: 3-(1-ethylsulfonyl-4-piperidyl)-5-[3-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide CAS Name: 3-(1-ethylsulfonyl-4-piperidinyl)-5-[3-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide IUPAC Name: 3-(1-ethylsulfonylpiperidin-4-yl)-5-[3-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide Traditional Name: 3-(1-esyl-4-piperidyl)-5-[3-[[[(2S)-2-methylbutyl]amino]methyl]phenyl]-1H-indole-7-carboxamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNCC1=CC=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

Isomeric SMILES

CC[C@H](C)CNCC1=CC=CC(=C1)C2=CC(=C3C(=C2)C(=CN3)C4CCN(CC4)S(=O)(=O)CC)C(=O)N

InChI

InChI=1S/C28H38N4O3S/c1-4-19(3)16-30-17-20-7-6-8-22(13-20)23-14-24-26(18-31-27(24)25(15-23)28(29)33)21-9-11-32(12-10-21)36(34,35)5-2/h6-8,13-15,18-19,21,30-31H,4-5,9-12,16-17H2,1-3H3,(H2,29,33)/t19-/m0/s1