[4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperazino]-(2-furyl)methanone Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H29N3O6S/c1-31-20-9-8-18(33(29,30)26-10-4-2-3-5-11-26)17-19(20)22(27)24-12-14-25(15-13-24)23(28)21-7-6-16-32-21/h6-9,16-17H,2-5,10-15H2,1H3