[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrophenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[4-[(3S)-3-methylpiperidino]-3-nitro-phenyl]methanone Formula: C23H35N5O5S MolecularWeight: 493.6195

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O5S/c1-19-7-6-10-25(18-19)21-9-8-20(17-22(21)28(30)31)23(29)24-13-15-27(16-14-24)34(32,33)26-11-4-2-3-5-12-26/h8-9,17,19H,2-7,10-16,18H2,1H3/t19-/m0/s1