1-iodanyl-N-[2-methyl-3-[(phenylmethyl)-[[4-(3-prop-2-enoxyphenyl)carbonylphenyl]methyl]amino]phenyl]methanesulfonamide

Systemtic Name: 1-iodanyl-N-[2-methyl-3-[(phenylmethyl)-[[4-(3-prop-2-enoxyphenyl)carbonylphenyl]methyl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[4-(3-allyloxybenzoyl)phenyl]methyl-benzyl-amino]-2-methyl-phenyl]-1-iodo-methanesulfonamide CAS Name: 1-iodo-N-[2-methyl-3-[[4-[oxo-(3-prop-2-enoxyphenyl)methyl]phenyl]methyl-(phenylmethyl)amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[benzyl-[[4-(3-prop-2-enoxybenzoyl)phenyl]methyl]amino]-2-methylphenyl]-1-iodomethanesulfonamide Traditional Name: N-[3-[[4-(3-allyloxybenzoyl)benzyl]-benzyl-amino]-2-methyl-phenyl]-1-iodo-methanesulfonamide Formula: C32H31IN2O4S MolecularWeight: 666.56901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)C4=CC(=CC=C4)OCC=C)NS(=O)(=O)CI

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)C4=CC(=CC=C4)OCC=C)NS(=O)(=O)CI

InChI

InChI=1S/C32H31IN2O4S/c1-3-19-39-29-12-7-11-28(20-29)32(36)27-17-15-26(16-18-27)22-35(21-25-9-5-4-6-10-25)31-14-8-13-30(24(31)2)34-40(37,38)23-33/h3-18,20,34H,1,19,21-23H2,2H3