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

Systemtic Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)phenyl]-[4-(2-phenoxyethyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazino]methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c29-25(27-17-15-26(16-18-27)19-20-32-23-10-4-3-5-11-23)22-9-8-12-24(21-22)33(30,31)28-13-6-1-2-7-14-28/h3-5,8-12,21H,1-2,6-7,13-20H2