N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(cyclopropylcarbamoylamino)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(cyclopropylcarbamoylamino)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(cyclopropylcarbamoylamino)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-[[(cyclopropylamino)-oxomethyl]amino]benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(cyclopropylcarbamoylamino)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(cyclopropylcarbamoylamino)benzamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)NC(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)NC(=O)NC4CC4

InChI

InChI=1S/C24H30N4O5S/c1-33-22-13-12-20(34(31,32)28-14-4-2-3-5-15-28)16-21(22)27-23(29)17-6-8-18(9-7-17)25-24(30)26-19-10-11-19/h6-9,12-13,16,19H,2-5,10-11,14-15H2,1H3,(H,27,29)(H2,25,26,30)