(3S)-3-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine

Systemtic Name: (3S)-3-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine Openeye Name: (3S)-3-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine CAS Name: (3S)-3-methyl-1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperidine IUPAC Name: (3S)-3-methyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine Traditional Name: (3S)-3-methyl-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperidine Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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