[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]methanone Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H32N4O4S/c1-18-16-21(19(2)26(18)17-20-8-7-15-30-20)22(27)23-11-13-25(14-12-23)31(28,29)24-9-5-3-4-6-10-24/h7-8,15-16H,3-6,9-14,17H2,1-2H3