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

Systemtic Name: (3S)-1-(4-cyclopentylsulfanyl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-(4-cyclopentylsulfanyl-3-nitro-phenyl)sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(cyclopentylthio)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-(4-cyclopentylsulfanyl-3-nitrophenyl)sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(cyclopentylthio)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O4S2/c1-13-5-4-10-18(12-13)25(22,23)15-8-9-17(16(11-15)19(20)21)24-14-6-2-3-7-14/h8-9,11,13-14H,2-7,10,12H2,1H3/t13-/m0/s1