4-(azepan-1-ylsulfonyl)-N-naphthalen-1-yl-piperazine-1-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1-naphthyl)piperazine-1-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H28N4O3S/c26-21(22-20-11-7-9-18-8-3-4-10-19(18)20)23-14-16-25(17-15-23)29(27,28)24-12-5-1-2-6-13-24/h3-4,7-11H,1-2,5-6,12-17H2,(H,22,26)