N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

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