N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholinyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H30N4O6S3 MolecularWeight: 578.7239

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H30N4O6S3/c1-37(31,32)21-8-9-22-23(18-21)36-25(26-22)29(13-12-27-14-16-35-17-15-27)24(30)19-4-6-20(7-5-19)38(33,34)28-10-2-3-11-28/h4-9,18H,2-3,10-17H2,1H3