3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]amino]-N-cyclopropyl-benzamide Formula: C22H33N5O4S MolecularWeight: 463.59352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H33N5O4S/c28-21(23-20-7-5-6-18(16-20)22(29)24-19-8-9-19)17-25-12-14-27(15-13-25)32(30,31)26-10-3-1-2-4-11-26/h5-7,16,19H,1-4,8-15,17H2,(H,23,28)(H,24,29)