(3S)-1-[3-(3-ethyl-6-piperazin-1-yl-indol-1-yl)sulfonylphenyl]pyrrolidin-3-ol

Systemtic Name: (3S)-1-[3-(3-ethyl-6-piperazin-1-yl-indol-1-yl)sulfonylphenyl]pyrrolidin-3-ol Openeye Name: (3S)-1-[3-(3-ethyl-6-piperazin-1-yl-indol-1-yl)sulfonylphenyl]pyrrolidin-3-ol CAS Name: (3S)-1-[3-[[3-ethyl-6-(1-piperazinyl)-1-indolyl]sulfonyl]phenyl]-3-pyrrolidinol IUPAC Name: (3S)-1-[3-(3-ethyl-6-piperazin-1-ylindol-1-yl)sulfonylphenyl]pyrrolidin-3-ol Traditional Name: (3S)-1-[3-(3-ethyl-6-piperazino-indol-1-yl)sulfonylphenyl]pyrrolidin-3-ol Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=C1C=CC(=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)N5CCC(C5)O

Isomeric SMILES

CCC1=CN(C2=C1C=CC(=C2)N3CCNCC3)S(=O)(=O)C4=CC=CC(=C4)N5CC[C@@H](C5)O

InChI

InChI=1S/C24H30N4O3S/c1-2-18-16-28(24-15-20(6-7-23(18)24)26-12-9-25-10-13-26)32(30,31)22-5-3-4-19(14-22)27-11-8-21(29)17-27/h3-7,14-16,21,25,29H,2,8-13,17H2,1H3/t21-/m0/s1