1-methyl-4-[3-[(4-nitrophenyl)-sulfinato-amino]phenyl]carbonyl-piperidine

Systemtic Name: 1-methyl-4-[3-[(4-nitrophenyl)-sulfinato-amino]phenyl]carbonyl-piperidine Openeye Name: 1-methyl-4-[3-(4-nitro-N-sulfinato-anilino)benzoyl]piperidine CAS Name: 1-methyl-4-[[3-(4-nitro-N-sulfinatoanilino)phenyl]-oxomethyl]piperidine IUPAC Name: 1-methyl-4-[3-(4-nitro-N-sulfinatoanilino)benzoyl]piperidine Traditional Name: 1-methyl-4-[3-(4-nitro-N-sulfinato-anilino)benzoyl]piperidine Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC=C(C=C3)[N+](=O)[O-])S(=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC=C(C=C3)[N+](=O)[O-])S(=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-20-11-9-14(10-12-20)19(23)15-3-2-4-18(13-15)21(28(26)27)16-5-7-17(8-6-16)22(24)25/h2-8,13-14H,9-12H2,1H3,(H,26,27)/p-1