2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-1-(4-phenylpiperazino)ethanone Formula: C25H34N4O4S MolecularWeight: 486.62686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O4S/c1-33-24-12-11-22(34(31,32)29-13-7-2-3-8-14-29)19-23(24)26-20-25(30)28-17-15-27(16-18-28)21-9-5-4-6-10-21/h4-6,9-12,19,26H,2-3,7-8,13-18,20H2,1H3