3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-2-oxidanylidene-3H-pyrrol-1-yl]-4-chloranyl-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-azanyl-4-(1,3-benzothiazol-2-yl)-2-oxidanylidene-3H-pyrrol-1-yl]-4-chloranyl-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-2-oxo-3H-pyrrol-1-yl]-4-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-2-oxo-3H-pyrrol-1-yl]-4-chloro-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-2-oxo-3H-pyrrol-1-yl]-4-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 3-[2-amino-3-(1,3-benzothiazol-2-yl)-5-keto-2-pyrrolin-1-yl]-4-chloro-N,N-diethyl-benzenesulfonamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=O)CC(=C2N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=O)CC(=C2N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21ClN4O3S2/c1-3-25(4-2)31(28,29)13-9-10-15(22)17(11-13)26-19(27)12-14(20(26)23)21-24-16-7-5-6-8-18(16)30-21/h5-11H,3-4,12,23H2,1-2H3