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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[2-(2-pyridyl)-4-quinolyl]methanone Formula: C25H29N5O3S MolecularWeight: 479.59446

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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)C5=CC=CC=N5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C25H29N5O3S/c31-25(28-15-17-30(18-16-28)34(32,33)29-13-7-1-2-8-14-29)21-19-24(23-11-5-6-12-26-23)27-22-10-4-3-9-20(21)22/h3-6,9-12,19H,1-2,7-8,13-18H2