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

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-1-pyrrolidino-ethanone Formula: C23H35N5O5S MolecularWeight: 493.6195

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H35N5O5S/c29-23(26-11-5-6-12-26)19-24-10-7-13-25(17-16-24)21-9-8-20(18-22(21)28(30)31)34(32,33)27-14-3-1-2-4-15-27/h8-9,18H,1-7,10-17,19H2