3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[4-(azepan-1-ylsulfonyl)piperazino]acetyl]anilino)propionamide Formula: C21H33N5O4S MolecularWeight: 451.58282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H33N5O4S/c22-20(27)10-13-26(19-8-4-3-5-9-19)21(28)18-23-14-16-25(17-15-23)31(29,30)24-11-6-1-2-7-12-24/h3-5,8-9H,1-2,6-7,10-18H2,(H2,22,27)