[1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]-phenyl-methanone

Systemtic Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperidin-4-yl]-phenyl-methanone Openeye Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]-phenyl-methanone CAS Name: [1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-4-piperidinyl]-phenylmethanone IUPAC Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperidin-4-yl]-phenylmethanone Traditional Name: [1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-4-piperidyl]-phenyl-methanone Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O5S/c28-24(19-8-4-3-5-9-19)20-12-16-25(17-13-20)22-11-10-21(18-23(22)27(29)30)33(31,32)26-14-6-1-2-7-15-26/h3-5,8-11,18,20H,1-2,6-7,12-17H2