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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4,5-dimethyl-2-pyrrol-1-ylthiophen-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)methanone Formula: C21H30N4O3S2 MolecularWeight: 450.6179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)N4C=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)N4C=CC=C4)C

InChI

InChI=1S/C21H30N4O3S2/c1-17-18(2)29-21(23-9-7-8-10-23)19(17)20(26)22-13-15-25(16-14-22)30(27,28)24-11-5-3-4-6-12-24/h7-10H,3-6,11-16H2,1-2H3