1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: N-benzyl-1-(4-methoxyphenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H27N3O4S2/c1-19-10-15-23-25(17-19)35-27(28-23)29(18-20-7-4-3-5-8-20)26(31)24-9-6-16-30(24)36(32,33)22-13-11-21(34-2)12-14-22/h3-5,7-8,10-15,17,24H,6,9,16,18H2,1-2H3