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

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(2-phenoxyethyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone Traditional Name: [4-(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=C(C=C2)C(=O)N3CCN(CC3)CCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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