[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-cyclopropyl-4-quinolyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-cyclopropyl-4-quinolinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-cyclopropyl-4-quinolyl)methanone Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C23H30N4O3S/c28-23(20-17-22(18-9-10-18)24-21-8-4-3-7-19(20)21)25-13-15-27(16-14-25)31(29,30)26-11-5-1-2-6-12-26/h3-4,7-8,17-18H,1-2,5-6,9-16H2