4-methyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine

Systemtic Name: 4-methyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine Openeye Name: 4-methyl-1-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperidine CAS Name: 4-methyl-1-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylpiperidine IUPAC Name: 4-methyl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylpiperidine Traditional Name: 4-methyl-1-(3-nitro-4-pyrrolidino-phenyl)sulfonyl-piperidine Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c1-13-6-10-18(11-7-13)24(22,23)14-4-5-15(16(12-14)19(20)21)17-8-2-3-9-17/h4-5,12-13H,2-3,6-11H2,1H3