2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: N-benzyl-2-[(4-cyanophenyl)sulfonyl-methyl-amino]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN(C)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CN(C)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H22N4O3S2/c1-18-7-6-10-22-24(18)27-25(33-22)29(16-20-8-4-3-5-9-20)23(30)17-28(2)34(31,32)21-13-11-19(15-26)12-14-21/h3-14H,16-17H2,1-2H3