N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine hydrochloride

Systemtic Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine hydrochloride Openeye Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]chroman-4-amine hydrochloride CAS Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-1-benzopyran-4-amine hydrochloride IUPAC Name: N-ethyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine hydrochloride Traditional Name: chroman-4-yl-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-ethyl-amine hydrochloride Formula: C25H31ClN2O4S MolecularWeight: 491.04264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3CCOC4=CC=CC=C34.Cl

Isomeric SMILES

CCN(CC1=CC=C(N1)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C3CCOC4=CC=CC=C34.Cl

InChI

InChI=1S/C25H30N2O4S.ClH/c1-4-27(23-14-15-31-25-9-7-6-8-20(23)25)17-18-10-12-22(26-18)21-16-19(32(28,29)5-2)11-13-24(21)30-3;/h6-13,16,23,26H,4-5,14-15,17H2,1-3H3;1H