3-methoxy-N-[2-(phenylsulfonyl)ethyl]-4-(pyrazin-2-ylcarbamoylamino)benzamide

Systemtic Name: 3-methoxy-N-[2-(phenylsulfonyl)ethyl]-4-(pyrazin-2-ylcarbamoylamino)benzamide Openeye Name: N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide CAS Name: N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-[[oxo-(2-pyrazinylamino)methyl]amino]benzamide IUPAC Name: N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide Traditional Name: N-(2-besylethyl)-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCCS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=NC=CN=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NCCS(=O)(=O)C2=CC=CC=C2)NC(=O)NC3=NC=CN=C3

InChI

InChI=1S/C21H21N5O5S/c1-31-18-13-15(7-8-17(18)25-21(28)26-19-14-22-9-10-23-19)20(27)24-11-12-32(29,30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,27)(H2,23,25,26,28)