4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoylamino]benzamide

Systemtic Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoylamino]benzamide Openeye Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoylamino]benzamide CAS Name: 4-[[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]propanoylamino]benzamide Traditional Name: 4-[2-[4-(azepan-1-ylsulfonyl)piperazino]propanoylamino]benzamide Formula: C20H31N5O4S MolecularWeight: 437.55624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N5O4S/c1-16(20(27)22-18-8-6-17(7-9-18)19(21)26)23-12-14-25(15-13-23)30(28,29)24-10-4-2-3-5-11-24/h6-9,16H,2-5,10-15H2,1H3,(H2,21,26)(H,22,27)