[6-(azepan-1-yl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [6-(azepan-1-yl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [6-(azepan-1-yl)-3-pyridyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [6-(1-azepanyl)-3-pyridinyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [6-(azepan-1-yl)pyridin-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [6-(azepan-1-yl)-3-pyridyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5S/c28-22(18-8-9-21(23-17-18)24-10-3-1-2-4-11-24)25-12-14-26(15-13-25)33(31,32)20-7-5-6-19(16-20)27(29)30/h5-9,16-17H,1-4,10-15H2