N-[[5-[(4-tert-butylphenyl)methyl]thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]-4-chloranyl-benzamide

Systemtic Name: N-[[5-[(4-tert-butylphenyl)methyl]thiophen-2-yl]-piperazin-1-ylsulfonyl-methyl]-4-chloranyl-benzamide Openeye Name: N-[[5-[(4-tert-butylphenyl)methyl]-2-thienyl]-piperazin-1-ylsulfonyl-methyl]-4-chloro-benzamide CAS Name: N-[[5-[(4-tert-butylphenyl)methyl]-2-thiophenyl]-(1-piperazinylsulfonyl)methyl]-4-chlorobenzamide IUPAC Name: N-[[5-[(4-tert-butylphenyl)methyl]thiophen-2-yl]-piperazin-1-ylsulfonylmethyl]-4-chlorobenzamide Traditional Name: N-[[5-(4-tert-butylbenzyl)-2-thienyl]-piperazinosulfonyl-methyl]-4-chloro-benzamide Formula: C27H32ClN3O3S2 MolecularWeight: 546.14428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CC2=CC=C(S2)C(NC(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCNCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CC2=CC=C(S2)C(NC(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)N4CCNCC4

InChI

InChI=1S/C27H32ClN3O3S2/c1-27(2,3)21-8-4-19(5-9-21)18-23-12-13-24(35-23)26(36(33,34)31-16-14-29-15-17-31)30-25(32)20-6-10-22(28)11-7-20/h4-13,26,29H,14-18H2,1-3H3,(H,30,32)