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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxy-2-naphthyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-methoxy-2-naphthalenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-methoxy-2-naphthyl)methanone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-29-21-17-19-9-5-4-8-18(19)16-20(21)22(26)23-12-14-25(15-13-23)30(27,28)24-10-6-2-3-7-11-24/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3