2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(isopropylcarbamoyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(isopropylcarbamoyl)propionamide Formula: C17H33N5O4S MolecularWeight: 403.54002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)N1CCN(CC1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H33N5O4S/c1-14(2)18-17(24)19-16(23)15(3)20-10-12-22(13-11-20)27(25,26)21-8-6-4-5-7-9-21/h14-15H,4-13H2,1-3H3,(H2,18,19,23,24)