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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]benzenesulfonamide Formula: C19H21N5O5S3 MolecularWeight: 495.59554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5S3/c1-12(2)23-32(27,28)15-8-9-17(16(10-15)24(25)26)30-19-22-21-18(31-19)20-11-13-4-6-14(29-3)7-5-13/h4-10,12,23H,11H2,1-3H3,(H,20,21)