N-cyclopropyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]propanamide

Systemtic Name: N-cyclopropyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]propanamide Openeye Name: N-cyclopropyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-yl]propanamide CAS Name: N-cyclopropyl-2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-cyclopropyl-2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-yl]propanamide Traditional Name: N-cyclopropyl-2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazino]propionamide Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CC1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O5S/c1-15(20(26)21-16-4-5-16)22-10-12-23(13-11-22)18-7-6-17(14-19(18)25(27)28)31(29,30)24-8-2-3-9-24/h6-7,14-16H,2-5,8-13H2,1H3,(H,21,26)