N-butyl-2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-yl]acetamide CAS Name: N-butyl-2-[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]acetamide IUPAC Name: N-butyl-2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazino]acetamide Formula: C22H35N5O5S MolecularWeight: 481.6088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

InChI

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