2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-1-pyrrolidino-ethanone Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O5S/c28-22(25-9-5-6-10-25)18-23-13-15-24(16-14-23)20-8-7-19(17-21(20)27(29)30)33(31,32)26-11-3-1-2-4-12-26/h7-8,17H,1-6,9-16,18H2