5-[3-cyano-5-[(2-methylpropylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Systemtic Name: 5-[3-cyano-5-[(2-methylpropylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Openeye Name: 5-[3-cyano-5-[(isobutylamino)methyl]phenyl]-3-(1-ethylsulfonyl-4-piperidyl)-1H-indole-7-carboxamide CAS Name: 5-[3-cyano-5-[(2-methylpropylamino)methyl]phenyl]-3-(1-ethylsulfonyl-4-piperidinyl)-1H-indole-7-carboxamide IUPAC Name: 5-[3-cyano-5-[(2-methylpropylamino)methyl]phenyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide Traditional Name: 5-[3-cyano-5-[(isobutylamino)methyl]phenyl]-3-(1-esyl-4-piperidyl)-1H-indole-7-carboxamide Formula: C28H35N5O3S MolecularWeight: 521.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC(=CC(=C4)C#N)CNCC(C)C)C(=O)N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C2=CNC3=C(C=C(C=C23)C4=CC(=CC(=C4)C#N)CNCC(C)C)C(=O)N

InChI

InChI=1S/C28H35N5O3S/c1-4-37(35,36)33-7-5-21(6-8-33)26-17-32-27-24(26)12-23(13-25(27)28(30)34)22-10-19(14-29)9-20(11-22)16-31-15-18(2)3/h9-13,17-18,21,31-32H,4-8,15-16H2,1-3H3,(H2,30,34)