2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-N-butan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-N-butan-2-yl-ethanamide Openeye Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazin-1-yl]-N-sec-butyl-acetamide CAS Name: 2-[4-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1-piperazinyl]-N-butan-2-ylacetamide IUPAC Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]piperazin-1-yl]-N-butan-2-ylacetamide Traditional Name: 2-[4-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]piperazino]-N-sec-butyl-acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H35N5O5S/c1-3-18(2)23-22(28)17-24-12-14-25(15-13-24)20-9-8-19(16-21(20)27(29)30)33(31,32)26-10-6-4-5-7-11-26/h8-9,16,18H,3-7,10-15,17H2,1-2H3,(H,23,28)