N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carboxamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H19N5O3S2/c21-13-15-5-1-4-8-18(15)30(27,28)25-11-9-24(10-12-25)20(26)22-14-19-23-16-6-2-3-7-17(16)29-19/h1-8H,9-12,14H2,(H,22,26)