N-[(4-tert-butylphenyl)methyl]-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-N-(phenylmethyl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-benzyl-N-[(4-tert-butylphenyl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(4-tert-butylphenyl)methyl]-N-(phenylmethyl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-benzyl-N-[(4-tert-butylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-benzyl-N-(4-tert-butylbenzyl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C28H34N2O4S2 MolecularWeight: 526.71056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C28H34N2O4S2/c1-28(2,3)25-13-11-24(12-14-25)22-30(21-23-9-5-4-6-10-23)36(33,34)27-17-15-26(16-18-27)35(31,32)29-19-7-8-20-29/h4-6,9-18H,7-8,19-22H2,1-3H3