4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butanamide CAS Name: 4-(phenylmethyl)sulfonyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-benzylsulfonyl-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-benzylsulfonyl-butyramide Formula: C21H23N3O5S3 MolecularWeight: 493.61942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O5S3/c1-2-12-24-18-11-10-17(32(22,28)29)14-19(18)30-21(24)23-20(25)9-6-13-31(26,27)15-16-7-4-3-5-8-16/h2-5,7-8,10-11,14H,1,6,9,12-13,15H2,(H2,22,28,29)