N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C27H27N3O3S2/c1-19-16-24-25(17-20(19)2)34-27(28-24)30(18-21-8-4-3-5-9-21)26(31)22-10-12-23(13-11-22)35(32,33)29-14-6-7-15-29/h3-5,8-13,16-17H,6-7,14-15,18H2,1-2H3