N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-ethylpiperazino)sulfonylphenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-2-25-13-15-27(16-14-25)34(32,33)20-8-6-19(7-9-20)24-23(29)18-5-10-21(22(17-18)28(30)31)26-11-3-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,24,29)