N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]ethanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[(2-cyanophenyl)sulfonyl-methyl-amino]acetamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN(C)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4O3S2/c1-3-4-7-15-10-11-17-18(12-15)29-21(23-17)24-20(26)14-25(2)30(27,28)19-9-6-5-8-16(19)13-22/h5-6,8-12H,3-4,7,14H2,1-2H3,(H,23,24,26)