4-(3-methylpiperidin-1-yl)-3-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-N-(1-propylsulfonyl-4-piperidyl)benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitro-N-(1-propylsulfonyl-4-piperidinyl)benzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitro-N-(1-propylsulfonylpiperidin-4-yl)benzamide Traditional Name: 4-(3-methylpiperidino)-3-nitro-N-(1-propylsulfonyl-4-piperidyl)benzamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC(C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O5S/c1-3-13-31(29,30)24-11-8-18(9-12-24)22-21(26)17-6-7-19(20(14-17)25(27)28)23-10-4-5-16(2)15-23/h6-7,14,16,18H,3-5,8-13,15H2,1-2H3,(H,22,26)