2-[(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(4-methoxy-3-nitrophenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(4-methoxy-3-nitrophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S2/c1-27-17-9-8-14(11-16(17)22(23)24)29(25,26)21-10-4-5-13(12-21)19-20-15-6-2-3-7-18(15)28-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m0/s1