2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]-N-(4-pyrrolidinobenzyl)acetamide Formula: C18H22ClN3O3S2 MolecularWeight: 427.96858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CN(CC(=O)NCC1=CC=C(C=C1)N2CCCC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H22ClN3O3S2/c1-21(27(24,25)18-9-8-16(19)26-18)13-17(23)20-12-14-4-6-15(7-5-14)22-10-2-3-11-22/h4-9H,2-3,10-13H2,1H3,(H,20,23)