2-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]amino]ethanoic acid

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-2-yl)sulfonyl-[(3S)-2-oxidanylidene-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]amino]ethanoic acid Openeye Name: 2-[(5-chlorobenzothiophen-2-yl)sulfonyl-[(3S)-1-(1-isopropyl-4-piperidyl)-2-oxo-pyrrolidin-3-yl]amino]acetic acid CAS Name: 2-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-[(3S)-2-oxo-1-(1-propan-2-yl-4-piperidinyl)-3-pyrrolidinyl]amino]acetic acid IUPAC Name: 2-[(5-chloro-1-benzothiophen-2-yl)sulfonyl-[(3S)-2-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]amino]acetic acid Traditional Name: 2-[(5-chlorobenzothiophen-2-yl)sulfonyl-[(3S)-1-(1-isopropyl-4-piperidyl)-2-keto-pyrrolidin-3-yl]amino]acetic acid Formula: C22H28ClN3O5S2 MolecularWeight: 514.05782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)N2CCC(C2=O)N(CC(=O)O)S(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)N2CC[C@@H](C2=O)N(CC(=O)O)S(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H28ClN3O5S2/c1-14(2)24-8-5-17(6-9-24)25-10-7-18(22(25)29)26(13-20(27)28)33(30,31)21-12-15-11-16(23)3-4-19(15)32-21/h3-4,11-12,14,17-18H,5-10,13H2,1-2H3,(H,27,28)/t18-/m0/s1