N-(cyclopropylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-(4-tetralin-6-ylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C20H29N4O4S+ MolecularWeight: 421.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC(=O)NC4CC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)NC(=O)NC4CC4

InChI

InChI=1S/C20H28N4O4S/c25-19(22-20(26)21-17-6-7-17)14-23-9-11-24(12-10-23)29(27,28)18-8-5-15-3-1-2-4-16(15)13-18/h5,8,13,17H,1-4,6-7,9-12,14H2,(H2,21,22,25,26)/p+1