N-[3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]quinoxalin-2-yl]-5-tert-butyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[3-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]quinoxalin-2-yl]-5-tert-butyl-2-methyl-benzenesulfonamide Openeye Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]quinoxalin-2-yl]-5-tert-butyl-2-methyl-benzenesulfonamide CAS Name: N-[3-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-quinoxalinyl]-5-tert-butyl-2-methylbenzenesulfonamide IUPAC Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]quinoxalin-2-yl]-5-tert-butyl-2-methylbenzenesulfonamide Traditional Name: N-[3-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]quinoxalin-2-yl]-5-tert-butyl-2-methyl-benzenesulfonamide Formula: C31H36ClN5O4S2 MolecularWeight: 642.23164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCCC5)Cl

InChI

InChI=1S/C31H36ClN5O4S2/c1-21-13-14-22(31(2,3)4)19-28(21)42(38,39)36-30-29(33-25-11-7-8-12-26(25)34-30)35-27-20-23(15-16-24(27)32)43(40,41)37-17-9-5-6-10-18-37/h7-8,11-16,19-20H,5-6,9-10,17-18H2,1-4H3,(H,33,35)(H,34,36)