1-(2-aminocarbonylindol-1-yl)-5-chloranyl-3-(3-methylbutylsulfonyl)-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide

Systemtic Name: 1-(2-aminocarbonylindol-1-yl)-5-chloranyl-3-(3-methylbutylsulfonyl)-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide Openeye Name: 1-(2-carbamoylindol-1-yl)-5-chloro-3-isopentylsulfonyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide CAS Name: 1-(2-carbamoyl-1-indolyl)-5-chloro-3-(3-methylbutylsulfonyl)-N-[(1-methyl-2-imidazolyl)methyl]-2-indolecarboxamide IUPAC Name: 1-(2-carbamoylindol-1-yl)-5-chloro-3-(3-methylbutylsulfonyl)-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide Traditional Name: 1-(2-carbamoylindol-1-yl)-5-chloro-3-isoamylsulfonyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide Formula: C28H29ClN6O4S MolecularWeight: 581.08566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=C(N(C2=C1C=C(C=C2)Cl)N3C4=CC=CC=C4C=C3C(=O)N)C(=O)NCC5=NC=CN5C

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=C(N(C2=C1C=C(C=C2)Cl)N3C4=CC=CC=C4C=C3C(=O)N)C(=O)NCC5=NC=CN5C

InChI

InChI=1S/C28H29ClN6O4S/c1-17(2)10-13-40(38,39)26-20-15-19(29)8-9-22(20)35(25(26)28(37)32-16-24-31-11-12-33(24)3)34-21-7-5-4-6-18(21)14-23(34)27(30)36/h4-9,11-12,14-15,17H,10,13,16H2,1-3H3,(H2,30,36)(H,32,37)