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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

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