4-pyrrolidin-1-ylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-pyrrolidin-1-ylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-pyrrolidin-1-ylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(1-pyrrolidinylsulfonyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-pyrrolidin-1-ylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-pyrrolidinosulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)C)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-12-15(2)19-18(13-14)23(3)21(28-19)22-20(25)16-6-8-17(9-7-16)29(26,27)24-10-4-5-11-24/h6-9,12-13H,4-5,10-11H2,1-3H3