propan-2-yl 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]amino]benzoic acid isopropyl ester Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O5S/c1-18(2)31-22(28)19-7-9-20(10-8-19)23-21(27)17-24-13-15-26(16-14-24)32(29,30)25-11-5-3-4-6-12-25/h7-10,18H,3-6,11-17H2,1-2H3,(H,23,27)