[1-(azepan-1-ylsulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(azepan-1-ylsulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(azepan-1-ylsulfonyl)-3-piperidyl]-[4-(2-pyridyl)piperazin-1-yl]methanone CAS Name: [1-(1-azepanylsulfonyl)-3-piperidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [1-(azepan-1-ylsulfonyl)piperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(azepan-1-ylsulfonyl)-3-piperidyl]-[4-(2-pyridyl)piperazino]methanone Formula: C21H33N5O3S MolecularWeight: 435.58342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C21H33N5O3S/c27-21(24-16-14-23(15-17-24)20-9-3-4-10-22-20)19-8-7-13-26(18-19)30(28,29)25-11-5-1-2-6-12-25/h3-4,9-10,19H,1-2,5-8,11-18H2