N-[(1R)-1-(1-adamantyl)ethyl]-2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-chloranyl-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-chloro-5-[(4-ethyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-chloro-5-(4-ethylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-chloro-5-(4-ethylpiperazino)sulfonyl-benzamide Formula: C25H36ClN3O3S MolecularWeight: 494.08964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36ClN3O3S/c1-3-28-6-8-29(9-7-28)33(31,32)21-4-5-23(26)22(13-21)24(30)27-17(2)25-14-18-10-19(15-25)12-20(11-18)16-25/h4-5,13,17-20H,3,6-12,14-16H2,1-2H3,(H,27,30)/t17-,18?,19?,20?,25?/m1/s1