4-propan-2-yl-N-[4-[(3S)-1-prop-2-enylpyrrolidin-3-yl]phenyl]benzenesulfonamide hydrochloride

Systemtic Name: 4-propan-2-yl-N-[4-[(3S)-1-prop-2-enylpyrrolidin-3-yl]phenyl]benzenesulfonamide hydrochloride Openeye Name: N-[4-[(3S)-1-allylpyrrolidin-3-yl]phenyl]-4-isopropyl-benzenesulfonamide hydrochloride CAS Name: 4-propan-2-yl-N-[4-[(3S)-1-prop-2-enyl-3-pyrrolidinyl]phenyl]benzenesulfonamide hydrochloride IUPAC Name: 4-propan-2-yl-N-[4-[(3S)-1-prop-2-enylpyrrolidin-3-yl]phenyl]benzenesulfonamide hydrochloride Traditional Name: N-[4-[(3S)-1-allylpyrrolidin-3-yl]phenyl]-4-isopropyl-benzenesulfonamide hydrochloride Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3CCN(C3)CC=C.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)[C@@H]3CCN(C3)CC=C.Cl

InChI

InChI=1S/C22H28N2O2S.ClH/c1-4-14-24-15-13-20(16-24)19-5-9-21(10-6-19)23-27(25,26)22-11-7-18(8-12-22)17(2)3;/h4-12,17,20,23H,1,13-16H2,2-3H3;1H/t20-;/m1./s1