[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-oxidanylnaphthalen-2-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-oxidanylnaphthalen-2-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-hydroxy-2-naphthyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-hydroxy-2-naphthalenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-hydroxy-2-naphthyl)methanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C21H27N3O4S/c25-20-16-18-8-4-3-7-17(18)15-19(20)21(26)22-11-13-24(14-12-22)29(27,28)23-9-5-1-2-6-10-23/h3-4,7-8,15-16,25H,1-2,5-6,9-14H2