[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[2-(3-thienyl)pyrrolidin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-[2-(3-thiophenyl)-1-pyrrolidinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-[2-(3-thienyl)pyrrolidino]methanone Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3C4=CSC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC3C4=CSC=C4)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c22-18-8-7-16(14-20(18)29(26,27)23-10-3-1-2-4-11-23)21(25)24-12-5-6-19(24)17-9-13-28-15-17/h7-9,13-15,19H,1-6,10-12H2