[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[3-(ethoxymethyl)-4-methoxyphenyl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[3-(ethoxymethyl)-4-methoxy-phenyl]methanone Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O5S/c1-3-29-17-19-16-18(8-9-20(19)28-2)21(25)22-12-14-24(15-13-22)30(26,27)23-10-6-4-5-7-11-23/h8-9,16H,3-7,10-15,17H2,1-2H3