N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)anthracene-9-carboxamide

Systemtic Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)anthracene-9-carboxamide Openeye Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)anthracene-9-carboxamide CAS Name: N-[6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazol-2-yl]-9-anthracenecarboxamide IUPAC Name: N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)anthracene-9-carboxamide Traditional Name: N-(6-pyrrolidinosulfonyl-1,3-benzothiazol-2-yl)anthracene-9-carboxamide Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C26H21N3O3S2/c30-25(24-20-9-3-1-7-17(20)15-18-8-2-4-10-21(18)24)28-26-27-22-12-11-19(16-23(22)33-26)34(31,32)29-13-5-6-14-29/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,28,30)