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

Systemtic Name: 5-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]-2-chloranyl-N,N-diethyl-benzenesulfonamide Openeye Name: 5-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-2-chloro-N,N-diethyl-benzenesulfonamide CAS Name: 5-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-2-chloro-N,N-diethylbenzenesulfonamide IUPAC Name: 5-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]-2-chloro-N,N-diethylbenzenesulfonamide Traditional Name: 5-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]-2-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=C(C=CC(=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)N2CC(=O)C(=C2N)C3=NC4=CC=CC=C4S3)Cl

InChI

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