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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(isobutylcarbamoyl)propionamide Formula: C18H35N5O4S MolecularWeight: 417.5666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35N5O4S/c1-15(2)14-19-18(25)20-17(24)16(3)21-10-12-23(13-11-21)28(26,27)22-8-6-4-5-7-9-22/h15-16H,4-14H2,1-3H3,(H2,19,20,24,25)