[4-(azepan-1-yl)-3-nitro-phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S2/c26-21(23-11-13-24(14-12-23)32(29,30)20-6-5-15-31-20)17-7-8-18(19(16-17)25(27)28)22-9-3-1-2-4-10-22/h5-8,15-16H,1-4,9-14H2