N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)-4-pyrrolidinosulfonyl-benzamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C25H24N4O3S2/c1-18-7-6-9-22-23(18)27-25(33-22)29(17-20-8-2-3-14-26-20)24(30)19-10-12-21(13-11-19)34(31,32)28-15-4-5-16-28/h2-3,6-14H,4-5,15-17H2,1H3