2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-1,4-diazepan-1-yl]acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCN(CC3)CC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-17(2)23-22(28)16-24-9-4-10-25(14-13-24)20-6-5-19(15-21(20)27(29)30)33(31,32)26-11-7-18(3)8-12-26/h5-6,15,17-18H,4,7-14,16H2,1-3H3,(H,23,28)