N-(5-acetamido-2-methoxy-phenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(1-azepanylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(azepan-1-ylsulfonyl)piperazino]acetamide Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N5O5S/c1-17(27)22-18-7-8-20(31-2)19(15-18)23-21(28)16-24-11-13-26(14-12-24)32(29,30)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14,16H2,1-2H3,(H,22,27)(H,23,28)