4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzenesulfonamide Formula: C18H19N5O5S3 MolecularWeight: 481.56896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5S3/c1-11(2)22-31(26,27)14-7-8-16(15(10-14)23(24)25)29-18-21-20-17(30-18)19-12-5-4-6-13(9-12)28-3/h4-11,22H,1-3H3,(H,19,20)