N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[1-(p-tolylsulfonyl)-4-piperidyl]-2-pyrrolidin-1-yl-benzamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-2-pyrrolidino-N-(1-tosyl-4-piperidyl)benzamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H28N4O5S/c1-17-4-7-20(8-5-17)33(31,32)26-14-10-18(11-15-26)24-23(28)21-16-19(27(29)30)6-9-22(21)25-12-2-3-13-25/h4-9,16,18H,2-3,10-15H2,1H3,(H,24,28)