2-[4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]piperidin-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]piperidin-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-1-piperidyl]-N-isopropyl-acetamide CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitroanilino]-1-piperidinyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]piperidin-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]piperidino]-N-isopropyl-acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-17(2)23-22(28)16-25-13-9-18(10-14-25)24-20-8-7-19(15-21(20)27(29)30)33(31,32)26-11-5-3-4-6-12-26/h7-8,15,17-18,24H,3-6,9-14,16H2,1-2H3,(H,23,28)