N-(phenylmethyl)-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine hydrochloride

Systemtic Name: N-(phenylmethyl)-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine hydrochloride Openeye Name: N-benzyl-3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propan-1-amine hydrochloride CAS Name: N-(phenylmethyl)-3-[4-[(2-propan-2-yl-1-indolizinyl)sulfonyl]phenoxy]-1-propanamine hydrochloride IUPAC Name: N-benzyl-3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine hydrochloride Traditional Name: benzyl-[3-[4-(2-isopropylindolizin-1-yl)sulfonylphenoxy]propyl]amine hydrochloride Formula: C27H31ClN2O3S MolecularWeight: 499.06464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCNCC4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)C1=CN2C=CC=CC2=C1S(=O)(=O)C3=CC=C(C=C3)OCCCNCC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H30N2O3S.ClH/c1-21(2)25-20-29-17-7-6-11-26(29)27(25)33(30,31)24-14-12-23(13-15-24)32-18-8-16-28-19-22-9-4-3-5-10-22;/h3-7,9-15,17,20-21,28H,8,16,18-19H2,1-2H3;1H