[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2,3-dimethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2,3-dimethylquinoxalin-6-yl)methanone Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)N=C1C

InChI

InChI=1S/C21H29N5O3S/c1-16-17(2)23-20-15-18(7-8-19(20)22-16)21(27)24-11-13-26(14-12-24)30(28,29)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14H2,1-2H3