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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(2-nitrophenyl)-4-piperidyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[1-(2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[1-(2-nitrophenyl)-4-piperidyl]methanone Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O5S/c28-22(19-9-13-23(14-10-19)20-7-3-4-8-21(20)27(29)30)24-15-17-26(18-16-24)33(31,32)25-11-5-1-2-6-12-25/h3-4,7-8,19H,1-2,5-6,9-18H2