N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-1-phenyl-butan-2-amine

Systemtic Name: N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-1-phenyl-butan-2-amine Openeye Name: N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-1-phenyl-butan-2-amine CAS Name: N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-1-phenyl-2-butanamine IUPAC Name: N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-1-phenylbutan-2-amine Traditional Name: 1-benzylpropyl-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]amine Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)NCC2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)CC)OC

Isomeric SMILES

CCC(CC1=CC=CC=C1)NCC2=CC=C(N2)C3=C(C=CC(=C3)S(=O)(=O)CC)OC

InChI

InChI=1S/C24H30N2O3S/c1-4-19(15-18-9-7-6-8-10-18)25-17-20-11-13-23(26-20)22-16-21(30(27,28)5-2)12-14-24(22)29-3/h6-14,16,19,25-26H,4-5,15,17H2,1-3H3