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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S/c1-13-5-4-10-18(12-13)24(22,23)14-6-7-15(16(11-14)19(20)21)17-8-2-3-9-17/h6-7,11,13H,2-5,8-10,12H2,1H3/t13-/m0/s1