N-(1,2-benzoxazol-3-yl)-4-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(1,2-benzoxazol-3-yl)-4-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboxamide Openeye Name: N-(1,2-benzoxazol-3-yl)-4-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboxamide CAS Name: N-(1,2-benzoxazol-3-yl)-4-[(4-methylsulfonylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(1,2-benzoxazol-3-yl)-4-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboxamide Traditional Name: N-indoxazen-3-yl-4-(4-mesylbenzyl)piperazine-1-carboxamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=NOC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=NOC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O4S/c1-29(26,27)16-8-6-15(7-9-16)14-23-10-12-24(13-11-23)20(25)21-19-17-4-2-3-5-18(17)28-22-19/h2-9H,10-14H2,1H3,(H,21,22,25)